8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

C25H22N4O2 — CID 70508836

IUPAC8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(COCc3ccccc3)n1-2
InChIInChI=1S/C25H22N4O2/c1-30-20-12-13-22-21(14-20)25(19-10-6-3-7-11-19)26-15-23-27-28-24(29(22)23)17-31-16-18-8-4-2-5-9-18/h2-14H,15-17H2,1H3
InChIKeySNWNVCIFXJVISJ-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.34
Rot. Bonds6

About 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (PubChem CID 70508836) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
PubChem CID70508836
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(COCc3ccccc3)n1-2
InChIInChI=1S/C25H22N4O2/c1-30-20-12-13-22-21(14-20)25(19-10-6-3-7-11-19)26-15-23-27-28-24(29(22)23)17-31-16-18-8-4-2-5-9-18/h2-14H,15-17H2,1H3
InChIKeySNWNVCIFXJVISJ-UHFFFAOYSA-N
XLogP4.34
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-1-[(4-methoxyphenyl)methoxymethyl]-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;(8-fluoro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
CID 70508586
8-bromo-1-[(4-methoxyphenyl)methoxymethyl]-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;7-bromo-2-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepine
CID 70507026
8-chloro-1-(methoxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 12560614
8-chloro-6-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methoxymethyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;[8-chloro-6-(2-methoxyphenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
CID 70508384
ethane;6-(4-ethylphenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 144853101
(8-methylsulfanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
CID 70359532
(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl acetate
CID 19865828
8-bromo-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 13343345
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
[(E)-2-[4-(8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenyl]ethenyl]-trimethyl-λ4-sulfane
CID 144853458
8-chloro-6-(2-fluorophenyl)-1-(methoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 19865812
benzyl N-(8-methoxy-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate
CID 52933160

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine?
The IUPAC name of 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (CID 70508836) is 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.
What is the SMILES notation for 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine?
The canonical SMILES for 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine is COc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(COCc3ccccc3)n1-2.
What is the InChIKey of 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine?
The InChIKey is SNWNVCIFXJVISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-30-20-12-13-22-21(14-20)25(19-10-6-3-7-11-19)26-15-23-27-28-24(29(22)23)17-31-16-18-8-4-2-5-9-18/h2-14H,15-17H2,1H3.
What are the key properties of 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine?
8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine has a molecular weight of 410.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-phenyl-1-(phenylmethoxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine is sourced from PubChem (CID 70508836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).